2-(methylsulfonylamino)-3-[4-[3-(pyridin-3-ylmethylcarbamoylamino)phenyl]phenyl]propanoic acid

Systemtic Name: 2-(methylsulfonylamino)-3-[4-[3-(pyridin-3-ylmethylcarbamoylamino)phenyl]phenyl]propanoic acid Openeye Name: 2-(methanesulfonamido)-3-[4-[3-(3-pyridylmethylcarbamoylamino)phenyl]phenyl]propanoic acid CAS Name: 2-(methanesulfonamido)-3-[4-[3-[[oxo-(3-pyridinylmethylamino)methyl]amino]phenyl]phenyl]propanoic acid IUPAC Name: 2-(methanesulfonamido)-3-[4-[3-(pyridin-3-ylmethylcarbamoylamino)phenyl]phenyl]propanoic acid Traditional Name: 2-(methanesulfonamido)-3-[4-[3-(3-pyridylmethylcarbamoylamino)phenyl]phenyl]propionic acid Formula: C23H24N4O5S MolecularWeight: 468.52546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(CC1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)NCC3=CN=CC=C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)NC(CC1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)NCC3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C23H24N4O5S/c1-33(31,32)27-21(22(28)29)12-16-7-9-18(10-8-16)19-5-2-6-20(13-19)26-23(30)25-15-17-4-3-11-24-14-17/h2-11,13-14,21,27H,12,15H2,1H3,(H,28,29)(H2,25,26,30)